[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate

C14H14N2O4S — CID 4763480

IUPAC[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate
SMILESCOc1ccc(/N=c2\scc(OC(C)=O)n2C(C)=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9(17)16-13(20-10(2)18)8-21-14(16)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3/b15-14-
InChIKeyWWSIKHYIKKITMN-PFONDFGASA-N
MW306.34 g/mol
LogP2.38
Rot. Bonds3

About [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate

[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate (PubChem CID 4763480) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate
PubChem CID4763480
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate
SMILESCOc1ccc(/N=c2\scc(OC(C)=O)n2C(C)=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9(17)16-13(20-10(2)18)8-21-14(16)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3/b15-14-
InChIKeyWWSIKHYIKKITMN-PFONDFGASA-N
XLogP2.38
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-acetyl-2-(4-fluorophenyl)imino-1,3-thiazol-4-yl] acetate
CID 4763495
[3-acetyl-2-(2-chlorophenyl)imino-1,3-thiazol-4-yl] acetate
CID 17035211
2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetic acid
CID 21439993
N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
CID 1498013
1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 16955781
[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate
CID 4763536
ethyl 2-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]acetate
CID 4107243
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 1498151
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate?
The IUPAC name of [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate (CID 4763480) is [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate is COc1ccc(/N=c2\scc(OC(C)=O)n2C(C)=O)cc1.
What is the InChIKey of [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate?
The InChIKey is WWSIKHYIKKITMN-PFONDFGASA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9(17)16-13(20-10(2)18)8-21-14(16)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3/b15-14-.
What are the key properties of [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate?
[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate has a molecular weight of 306.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 4763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).